General Information of the Compound
| Compound ID |
CP0562499
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| Compound Name |
(2E,4E,6E,8E)-9-(3-Imidazol-1-yl-2,6,6-trimethyl-cyclohex-1-enyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid (4-hydroxy-phenyl)-amide
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| Structure |
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| Formula |
C29H35N3O2
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| Molecular Weight |
457.618
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| Canonical SMILES |
C\C(\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1)=C/C=C/C(/C)=C/C(=O)Nc1ccc(O)cc1
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| InChI |
InChI=1S/C29H35N3O2/c1-21(7-6-8-22(2)19-28(34)31-24-10-12-25(33)13-11-24)9-14-26-23(3)27(15-16-29(26,4)5)32-18-17-30-20-32/h6-14,17-20,27,33H,15-16H2,1-5H3,(H,31,34)/b8-6+,14-9+,21-7+,22-19+
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| InChIKey |
JHEWGPADVYIQFU-LBTWASEZSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound